2-methyl-4-nitro-1,5-dihydropyrazole

C4H7N3O2 — CID 145437202

IUPAC2-methyl-4-nitro-1,5-dihydropyrazole
SMILESCN1C=C([N+](=O)[O-])CN1
InChIInChI=1S/C4H7N3O2/c1-6-3-4(2-5-6)7(8)9/h3,5H,2H2,1H3
InChIKeyCGHBHTBLTUDIHI-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.45
Rot. Bonds1

About 2-methyl-4-nitro-1,5-dihydropyrazole

2-methyl-4-nitro-1,5-dihydropyrazole (PubChem CID 145437202) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-methyl-4-nitro-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-4-nitro-1,5-dihydropyrazole
PubChem CID145437202
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-methyl-4-nitro-1,5-dihydropyrazole
SMILESCN1C=C([N+](=O)[O-])CN1
InChIInChI=1S/C4H7N3O2/c1-6-3-4(2-5-6)7(8)9/h3,5H,2H2,1H3
InChIKeyCGHBHTBLTUDIHI-UHFFFAOYSA-N
XLogP-0.45
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-4-nitro-1,5-dihydropyrazole (CID 145437202) is 2-methyl-4-nitro-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-4-nitro-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-4-nitro-1,5-dihydropyrazole is CN1C=C([N+](=O)[O-])CN1.
What is the InChIKey of 2-methyl-4-nitro-1,5-dihydropyrazole?
The InChIKey is CGHBHTBLTUDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-6-3-4(2-5-6)7(8)9/h3,5H,2H2,1H3.
What are the key properties of 2-methyl-4-nitro-1,5-dihydropyrazole?
2-methyl-4-nitro-1,5-dihydropyrazole has a molecular weight of 129.12 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-1,5-dihydropyrazole is sourced from PubChem (CID 145437202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).